Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3783454 | 0.89 | ACHE (0.47) | PDE4APDE4BPDE4CPDE4DTLR9 | |
| SCHEMBL3786948 | 0.87 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DTLR9 | |
| SCHEMBL3781745 | 0.85 | ACHE (0.38) | PDE4APDE4BPDE4CPDE4DTLR9 | |
| SCHEMBL3704323 | 0.85 | CCNE2 (0.40) | PDE4APDE4BPDE4CPDE4DTLR9 | |
| SCHEMBL3701586 | 0.83 | TLR9 (0.39) | PDE4APDE4BPDE4CPDE4DTLR9 | |
| SCHEMBL3779641 | 0.83 | HTT (0.50) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL3704626 | 0.83 | HRH4 (0.52) | PDE4APDE4BPDE4CPDE4DTLR9 | |
| SCHEMBL3785003 | 0.83 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DTLR9 | |
| SCHEMBL3784136 | 0.83 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DTLR9 | |
| SCHEMBL3788927 | 0.81 | ACHE (0.44) | PDE4APDE4BPDE4CPDE4DTLR9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010083645-A1 | PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF | SHANGHAI TARGETDRUG CO., LTD (CN) | 2010-07-29 | — | — | WO | claimed |
| WO-2010083645-A1 | PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF | SHANGHAI TARGETDRUG CO., LTD (CN) | 2010-07-29 | — | — | WO | disclosed |